Reaction Details Report a problem with these data
Target
GTPase KRas [G12C]
Ligand
BDBM535466
Substrate
n/a
Meas. Tech.
Homogeneous Time Resolved Fluorescence (HTRF) Assay
IC50
7.00±n/a nM
Citation
 Malhotra, S; Xin, J; Do, S; Terrett, J Fused ring compounds US Patent  US11236068 Publication Date 2/1/2022 
Target
Name:
GTPase KRas [G12C]
Synonyms:
GTPase KRas (G12C) | KRAS | KRAS2 | RASK2 | RASK_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
21702.19
Organism:
Homo sapiens (Human)
Description:
P01116[G12C]
Residue:
189
Sequence:
MTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGCVKIKKCIIM
  
Inhibitor
Name:
BDBM535466
Synonyms:
US11236068, Example 63a | US11236068, Example 63b
Type:
Small organic molecule
Emp. Form.:
C31H33ClFN7O2
Mol. Mass.:
590.091
SMILES:
C[C@H]1CN(CCN1c1nc(OC[C@@H]2CCCN2C)nc2c(F)c(c(Cl)cc12)-c1nc(N)cc2ccccc12)C(=O)C=C |r,wD:1.0,12.12,(3.46,12.29,;2.12,13.06,;2.12,14.6,;.79,15.37,;-.54,14.6,;-.54,13.06,;.79,12.29,;.79,10.75,;2.12,9.98,;2.12,8.44,;3.46,7.67,;4.79,8.44,;6.12,7.67,;7.53,8.3,;8.56,7.15,;7.79,5.82,;6.29,6.14,;5.14,5.11,;.79,7.67,;-.54,8.44,;-1.88,7.67,;-1.88,6.13,;-3.21,8.44,;-3.21,9.98,;-4.54,10.75,;-1.88,10.75,;-.54,9.98,;-4.54,7.67,;-5.88,8.44,;-7.21,7.67,;-8.55,8.44,;-7.21,6.13,;-5.88,5.36,;-5.88,3.82,;-4.54,3.05,;-3.21,3.82,;-3.21,5.36,;-4.54,6.13,;.79,16.91,;-.54,17.68,;2.12,17.68,;2.12,19.22,)|
Structure:
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